Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 30063
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
12 '3D HNCO' . . . 30063 2
13 '3D CBCA(CO)NH' . . . 30063 2
14 '3D HNCACB' . . . 30063 2
15 '3D HNCA' . . . 30063 2
16 '3D H(CCO)NH' . . . 30063 2
17 '3D C(CO)NH' . . . 30063 2
18 '3D HCCH-TOCSY' . . . 30063 2
19 '3D 1H-15N NOESY' . . . 30063 2
20 '3D 1H-13C NOESY aromatic' . . . 30063 2
21 '3D 1H-13C NOESY aromatic' . . . 30063 2
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 30063 2
3 $software_3 . . 30063 2
5 $software_5 . . 30063 2
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 2 2 2 PRO HA H 1 4.465 0.02 . 1 . . . B 75 PRO HA . 30063 2
2 . 2 2 2 2 PRO HB2 H 1 2.324 0.02 . 2 . . . B 75 PRO HB2 . 30063 2
3 . 2 2 2 2 PRO HG2 H 1 2.036 0.02 . 2 . . . B 75 PRO HG2 . 30063 2
4 . 2 2 2 2 PRO HD2 H 1 3.752 0.02 . 2 . . . B 75 PRO HD2 . 30063 2
5 . 2 2 2 2 PRO C C 13 176.595 0.30 . 1 . . . B 75 PRO C . 30063 2
6 . 2 2 2 2 PRO CA C 13 63.355 0.30 . 1 . . . B 75 PRO CA . 30063 2
7 . 2 2 2 2 PRO CB C 13 31.999 0.30 . 1 . . . B 75 PRO CB . 30063 2
8 . 2 2 2 2 PRO CG C 13 27.513 0.30 . 1 . . . B 75 PRO CG . 30063 2
9 . 2 2 2 2 PRO CD C 13 50.605 0.30 . 1 . . . B 75 PRO CD . 30063 2
10 . 2 2 3 3 ALA H H 1 8.358 0.02 . 1 . . . B 76 ALA H . 30063 2
11 . 2 2 3 3 ALA HA H 1 4.242 0.02 . 1 . . . B 76 ALA HA . 30063 2
12 . 2 2 3 3 ALA HB1 H 1 1.366 0.02 . 1 . . . B 76 ALA HB1 . 30063 2
13 . 2 2 3 3 ALA HB2 H 1 1.366 0.02 . 1 . . . B 76 ALA HB2 . 30063 2
14 . 2 2 3 3 ALA HB3 H 1 1.366 0.02 . 1 . . . B 76 ALA HB3 . 30063 2
15 . 2 2 3 3 ALA C C 13 177.623 0.30 . 1 . . . B 76 ALA C . 30063 2
16 . 2 2 3 3 ALA CA C 13 52.801 0.30 . 1 . . . B 76 ALA CA . 30063 2
17 . 2 2 3 3 ALA CB C 13 19.083 0.30 . 1 . . . B 76 ALA CB . 30063 2
18 . 2 2 3 3 ALA N N 15 123.696 0.30 . 1 . . . B 76 ALA N . 30063 2
19 . 2 2 4 4 ASN H H 1 7.853 0.02 . 1 . . . B 77 ASN H . 30063 2
20 . 2 2 4 4 ASN HA H 1 4.670 0.02 . 1 . . . B 77 ASN HA . 30063 2
21 . 2 2 4 4 ASN HB2 H 1 2.767 0.02 . 1 . . . B 77 ASN HB2 . 30063 2
22 . 2 2 4 4 ASN HD21 H 1 7.555 0.02 . 1 . . . B 77 ASN HD21 . 30063 2
23 . 2 2 4 4 ASN HD22 H 1 6.867 0.02 . 1 . . . B 77 ASN HD22 . 30063 2
24 . 2 2 4 4 ASN C C 13 175.067 0.30 . 1 . . . B 77 ASN C . 30063 2
25 . 2 2 4 4 ASN CA C 13 53.265 0.30 . 1 . . . B 77 ASN CA . 30063 2
26 . 2 2 4 4 ASN CB C 13 38.948 0.30 . 1 . . . B 77 ASN CB . 30063 2
27 . 2 2 4 4 ASN N N 15 123.316 0.30 . 1 . . . B 77 ASN N . 30063 2
28 . 2 2 4 4 ASN ND2 N 15 112.708 0.30 . 1 . . . B 77 ASN ND2 . 30063 2
29 . 2 2 5 5 SER H H 1 8.010 0.02 . 1 . . . B 78 SER H . 30063 2
30 . 2 2 5 5 SER HA H 1 4.347 0.02 . 1 . . . B 78 SER HA . 30063 2
31 . 2 2 5 5 SER HB2 H 1 3.796 0.02 . 2 . . . B 78 SER HB2 . 30063 2
32 . 2 2 5 5 SER C C 13 174.019 0.30 . 1 . . . B 78 SER C . 30063 2
33 . 2 2 5 5 SER CA C 13 58.611 0.30 . 1 . . . B 78 SER CA . 30063 2
34 . 2 2 5 5 SER CB C 13 63.457 0.30 . 1 . . . B 78 SER CB . 30063 2
35 . 2 2 5 5 SER N N 15 115.394 0.30 . 1 . . . B 78 SER N . 30063 2
36 . 2 2 6 6 PHE H H 1 8.210 0.02 . 1 . . . B 79 PHE H . 30063 2
37 . 2 2 6 6 PHE HA H 1 4.322 0.02 . 1 . . . B 79 PHE HA . 30063 2
38 . 2 2 6 6 PHE HB2 H 1 3.065 0.02 . 2 . . . B 79 PHE HB2 . 30063 2
39 . 2 2 6 6 PHE HD1 H 1 7.185 0.02 . 3 . . . B 79 PHE HD1 . 30063 2
40 . 2 2 6 6 PHE HD2 H 1 7.194 0.02 . 3 . . . B 79 PHE HD2 . 30063 2
41 . 2 2 6 6 PHE CA C 13 62.998 0.30 . 1 . . . B 79 PHE CA . 30063 2
42 . 2 2 6 6 PHE CB C 13 39.603 0.30 . 1 . . . B 79 PHE CB . 30063 2
43 . 2 2 6 6 PHE CD1 C 13 131.647 0.30 . 1 . . . B 79 PHE CD1 . 30063 2
44 . 2 2 6 6 PHE CD2 C 13 131.829 0.30 . 1 . . . B 79 PHE CD2 . 30063 2
45 . 2 2 6 6 PHE N N 15 121.620 0.30 . 1 . . . B 79 PHE N . 30063 2
46 . 2 2 7 7 HIS H H 1 8.064 0.02 . 1 . . . B 80 HIS H . 30063 2
47 . 2 2 7 7 HIS HA H 1 4.627 0.02 . 1 . . . B 80 HIS HA . 30063 2
48 . 2 2 7 7 HIS HB2 H 1 2.967 0.02 . 2 . . . B 80 HIS HB2 . 30063 2
49 . 2 2 7 7 HIS HD2 H 1 7.189 0.02 . 1 . . . B 80 HIS HD2 . 30063 2
50 . 2 2 7 7 HIS C C 13 176.856 0.30 . 1 . . . B 80 HIS C . 30063 2
51 . 2 2 7 7 HIS CA C 13 57.454 0.30 . 1 . . . B 80 HIS CA . 30063 2
52 . 2 2 7 7 HIS CB C 13 29.812 0.30 . 1 . . . B 80 HIS CB . 30063 2
53 . 2 2 7 7 HIS CD2 C 13 120.640 0.30 . 1 . . . B 80 HIS CD2 . 30063 2
54 . 2 2 7 7 HIS N N 15 119.864 0.30 . 1 . . . B 80 HIS N . 30063 2
55 . 2 2 8 8 PHE H H 1 8.994 0.02 . 1 . . . B 81 PHE H . 30063 2
56 . 2 2 8 8 PHE HA H 1 4.486 0.02 . 1 . . . B 81 PHE HA . 30063 2
57 . 2 2 8 8 PHE HB2 H 1 3.351 0.02 . 2 . . . B 81 PHE HB2 . 30063 2
58 . 2 2 8 8 PHE HD1 H 1 7.280 0.02 . 3 . . . B 81 PHE HD1 . 30063 2
59 . 2 2 8 8 PHE HD2 H 1 7.215 0.02 . 3 . . . B 81 PHE HD2 . 30063 2
60 . 2 2 8 8 PHE C C 13 176.462 0.30 . 1 . . . B 81 PHE C . 30063 2
61 . 2 2 8 8 PHE CA C 13 60.171 0.30 . 1 . . . B 81 PHE CA . 30063 2
62 . 2 2 8 8 PHE CB C 13 38.757 0.30 . 1 . . . B 81 PHE CB . 30063 2
63 . 2 2 8 8 PHE CD1 C 13 131.459 0.30 . 1 . . . B 81 PHE CD1 . 30063 2
64 . 2 2 8 8 PHE CD2 C 13 131.501 0.30 . 1 . . . B 81 PHE CD2 . 30063 2
65 . 2 2 8 8 PHE N N 15 119.724 0.30 . 1 . . . B 81 PHE N . 30063 2
66 . 2 2 9 9 LYS H H 1 7.902 0.02 . 1 . . . B 82 LYS H . 30063 2
67 . 2 2 9 9 LYS HA H 1 4.183 0.02 . 1 . . . B 82 LYS HA . 30063 2
68 . 2 2 9 9 LYS HB2 H 1 1.775 0.02 . 2 . . . B 82 LYS HB2 . 30063 2
69 . 2 2 9 9 LYS HG2 H 1 1.404 0.02 . 2 . . . B 82 LYS HG2 . 30063 2
70 . 2 2 9 9 LYS HD2 H 1 1.652 0.02 . 2 . . . B 82 LYS HD2 . 30063 2
71 . 2 2 9 9 LYS HE2 H 1 2.922 0.02 . 2 . . . B 82 LYS HE2 . 30063 2
72 . 2 2 9 9 LYS C C 13 178.634 0.30 . 1 . . . B 82 LYS C . 30063 2
73 . 2 2 9 9 LYS CA C 13 60.457 0.30 . 1 . . . B 82 LYS CA . 30063 2
74 . 2 2 9 9 LYS CB C 13 32.472 0.30 . 1 . . . B 82 LYS CB . 30063 2
75 . 2 2 9 9 LYS CG C 13 25.196 0.30 . 1 . . . B 82 LYS CG . 30063 2
76 . 2 2 9 9 LYS CD C 13 29.407 0.30 . 1 . . . B 82 LYS CD . 30063 2
77 . 2 2 9 9 LYS CE C 13 42.218 0.30 . 1 . . . B 82 LYS CE . 30063 2
78 . 2 2 9 9 LYS N N 15 122.208 0.30 . 1 . . . B 82 LYS N . 30063 2
79 . 2 2 10 10 GLU H H 1 8.110 0.02 . 1 . . . B 83 GLU H . 30063 2
80 . 2 2 10 10 GLU HA H 1 3.968 0.02 . 1 . . . B 83 GLU HA . 30063 2
81 . 2 2 10 10 GLU HB2 H 1 1.965 0.02 . 2 . . . B 83 GLU HB2 . 30063 2
82 . 2 2 10 10 GLU HG2 H 1 2.217 0.02 . 2 . . . B 83 GLU HG2 . 30063 2
83 . 2 2 10 10 GLU C C 13 178.351 0.30 . 1 . . . B 83 GLU C . 30063 2
84 . 2 2 10 10 GLU CA C 13 58.881 0.30 . 1 . . . B 83 GLU CA . 30063 2
85 . 2 2 10 10 GLU CB C 13 29.013 0.30 . 1 . . . B 83 GLU CB . 30063 2
86 . 2 2 10 10 GLU CG C 13 36.566 0.30 . 1 . . . B 83 GLU CG . 30063 2
87 . 2 2 10 10 GLU N N 15 117.513 0.30 . 1 . . . B 83 GLU N . 30063 2
88 . 2 2 11 11 ALA H H 1 7.782 0.02 . 1 . . . B 84 ALA H . 30063 2
89 . 2 2 11 11 ALA HA H 1 4.184 0.02 . 1 . . . B 84 ALA HA . 30063 2
90 . 2 2 11 11 ALA HB1 H 1 1.484 0.02 . 1 . . . B 84 ALA HB1 . 30063 2
91 . 2 2 11 11 ALA HB2 H 1 1.484 0.02 . 1 . . . B 84 ALA HB2 . 30063 2
92 . 2 2 11 11 ALA HB3 H 1 1.484 0.02 . 1 . . . B 84 ALA HB3 . 30063 2
93 . 2 2 11 11 ALA C C 13 181.068 0.30 . 1 . . . B 84 ALA C . 30063 2
94 . 2 2 11 11 ALA CA C 13 55.800 0.30 . 1 . . . B 84 ALA CA . 30063 2
95 . 2 2 11 11 ALA CB C 13 18.664 0.30 . 1 . . . B 84 ALA CB . 30063 2
96 . 2 2 11 11 ALA N N 15 122.478 0.30 . 1 . . . B 84 ALA N . 30063 2
97 . 2 2 12 12 TRP H H 1 7.997 0.02 . 1 . . . B 85 TRP H . 30063 2
98 . 2 2 12 12 TRP HA H 1 4.136 0.02 . 1 . . . B 85 TRP HA . 30063 2
99 . 2 2 12 12 TRP HB2 H 1 3.410 0.02 . 2 . . . B 85 TRP HB2 . 30063 2
100 . 2 2 12 12 TRP HD1 H 1 7.333 0.02 . 1 . . . B 85 TRP HD1 . 30063 2
101 . 2 2 12 12 TRP HE1 H 1 10.527 0.02 . 1 . . . B 85 TRP HE1 . 30063 2
102 . 2 2 12 12 TRP HE3 H 1 7.194 0.02 . 1 . . . B 85 TRP HE3 . 30063 2
103 . 2 2 12 12 TRP HZ2 H 1 7.025 0.02 . 1 . . . B 85 TRP HZ2 . 30063 2
104 . 2 2 12 12 TRP HZ3 H 1 6.753 0.02 . 1 . . . B 85 TRP HZ3 . 30063 2
105 . 2 2 12 12 TRP HH2 H 1 6.961 0.02 . 1 . . . B 85 TRP HH2 . 30063 2
106 . 2 2 12 12 TRP C C 13 178.377 0.30 . 1 . . . B 85 TRP C . 30063 2
107 . 2 2 12 12 TRP CA C 13 61.015 0.30 . 1 . . . B 85 TRP CA . 30063 2
108 . 2 2 12 12 TRP CB C 13 29.923 0.30 . 1 . . . B 85 TRP CB . 30063 2
109 . 2 2 12 12 TRP CD1 C 13 128.720 0.30 . 1 . . . B 85 TRP CD1 . 30063 2
110 . 2 2 12 12 TRP CE3 C 13 120.654 0.30 . 1 . . . B 85 TRP CE3 . 30063 2
111 . 2 2 12 12 TRP CZ2 C 13 113.995 0.30 . 1 . . . B 85 TRP CZ2 . 30063 2
112 . 2 2 12 12 TRP CZ3 C 13 123.421 0.30 . 1 . . . B 85 TRP CZ3 . 30063 2
113 . 2 2 12 12 TRP CH2 C 13 123.892 0.30 . 1 . . . B 85 TRP CH2 . 30063 2
114 . 2 2 12 12 TRP N N 15 118.362 0.30 . 1 . . . B 85 TRP N . 30063 2
115 . 2 2 12 12 TRP NE1 N 15 129.222 0.30 . 1 . . . B 85 TRP NE1 . 30063 2
116 . 2 2 13 13 LYS H H 1 7.941 0.02 . 1 . . . B 86 LYS H . 30063 2
117 . 2 2 13 13 LYS HA H 1 3.939 0.02 . 1 . . . B 86 LYS HA . 30063 2
118 . 2 2 13 13 LYS HB2 H 1 1.886 0.02 . 2 . . . B 86 LYS HB2 . 30063 2
119 . 2 2 13 13 LYS HG2 H 1 1.663 0.02 . 2 . . . B 86 LYS HG2 . 30063 2
120 . 2 2 13 13 LYS HD2 H 1 1.653 0.02 . 2 . . . B 86 LYS HD2 . 30063 2
121 . 2 2 13 13 LYS HE2 H 1 2.924 0.02 . 2 . . . B 86 LYS HE2 . 30063 2
122 . 2 2 13 13 LYS C C 13 179.210 0.30 . 1 . . . B 86 LYS C . 30063 2
123 . 2 2 13 13 LYS CA C 13 60.274 0.30 . 1 . . . B 86 LYS CA . 30063 2
124 . 2 2 13 13 LYS CB C 13 32.398 0.30 . 1 . . . B 86 LYS CB . 30063 2
125 . 2 2 13 13 LYS CG C 13 25.576 0.30 . 1 . . . B 86 LYS CG . 30063 2
126 . 2 2 13 13 LYS CD C 13 29.402 0.30 . 1 . . . B 86 LYS CD . 30063 2
127 . 2 2 13 13 LYS CE C 13 42.245 0.30 . 1 . . . B 86 LYS CE . 30063 2
128 . 2 2 13 13 LYS N N 15 116.946 0.30 . 1 . . . B 86 LYS N . 30063 2
129 . 2 2 14 14 HIS H H 1 8.603 0.02 . 1 . . . B 87 HIS H . 30063 2
130 . 2 2 14 14 HIS HA H 1 4.395 0.02 . 1 . . . B 87 HIS HA . 30063 2
131 . 2 2 14 14 HIS HB2 H 1 3.360 0.02 . 2 . . . B 87 HIS HB2 . 30063 2
132 . 2 2 14 14 HIS HD2 H 1 7.190 0.02 . 1 . . . B 87 HIS HD2 . 30063 2
133 . 2 2 14 14 HIS HE1 H 1 8.256 0.02 . 1 . . . B 87 HIS HE1 . 30063 2
134 . 2 2 14 14 HIS C C 13 177.213 0.30 . 1 . . . B 87 HIS C . 30063 2
135 . 2 2 14 14 HIS CA C 13 59.127 0.30 . 1 . . . B 87 HIS CA . 30063 2
136 . 2 2 14 14 HIS CB C 13 29.280 0.30 . 1 . . . B 87 HIS CB . 30063 2
137 . 2 2 14 14 HIS CD2 C 13 120.493 0.30 . 1 . . . B 87 HIS CD2 . 30063 2
138 . 2 2 14 14 HIS CE1 C 13 136.933 0.30 . 1 . . . B 87 HIS CE1 . 30063 2
139 . 2 2 14 14 HIS N N 15 118.054 0.30 . 1 . . . B 87 HIS N . 30063 2
140 . 2 2 15 15 ALA H H 1 7.948 0.02 . 1 . . . B 88 ALA H . 30063 2
141 . 2 2 15 15 ALA HA H 1 4.079 0.02 . 1 . . . B 88 ALA HA . 30063 2
142 . 2 2 15 15 ALA HB1 H 1 1.646 0.02 . 1 . . . B 88 ALA HB1 . 30063 2
143 . 2 2 15 15 ALA HB2 H 1 1.646 0.02 . 1 . . . B 88 ALA HB2 . 30063 2
144 . 2 2 15 15 ALA HB3 H 1 1.646 0.02 . 1 . . . B 88 ALA HB3 . 30063 2
145 . 2 2 15 15 ALA C C 13 179.046 0.30 . 1 . . . B 88 ALA C . 30063 2
146 . 2 2 15 15 ALA CA C 13 55.332 0.30 . 1 . . . B 88 ALA CA . 30063 2
147 . 2 2 15 15 ALA CB C 13 18.843 0.30 . 1 . . . B 88 ALA CB . 30063 2
148 . 2 2 15 15 ALA N N 15 121.520 0.30 . 1 . . . B 88 ALA N . 30063 2
149 . 2 2 16 16 ILE H H 1 8.473 0.02 . 1 . . . B 89 ILE H . 30063 2
150 . 2 2 16 16 ILE HA H 1 3.712 0.02 . 1 . . . B 89 ILE HA . 30063 2
151 . 2 2 16 16 ILE HB H 1 2.020 0.02 . 1 . . . B 89 ILE HB . 30063 2
152 . 2 2 16 16 ILE HG12 H 1 2.251 0.02 . 2 . . . B 89 ILE HG12 . 30063 2
153 . 2 2 16 16 ILE HG21 H 1 0.969 0.02 . 1 . . . B 89 ILE HG21 . 30063 2
154 . 2 2 16 16 ILE HG22 H 1 0.969 0.02 . 1 . . . B 89 ILE HG22 . 30063 2
155 . 2 2 16 16 ILE HG23 H 1 0.969 0.02 . 1 . . . B 89 ILE HG23 . 30063 2
156 . 2 2 16 16 ILE HD11 H 1 0.703 0.02 . 1 . . . B 89 ILE HD11 . 30063 2
157 . 2 2 16 16 ILE HD12 H 1 0.703 0.02 . 1 . . . B 89 ILE HD12 . 30063 2
158 . 2 2 16 16 ILE HD13 H 1 0.703 0.02 . 1 . . . B 89 ILE HD13 . 30063 2
159 . 2 2 16 16 ILE C C 13 177.810 0.30 . 1 . . . B 89 ILE C . 30063 2
160 . 2 2 16 16 ILE CA C 13 66.020 0.30 . 1 . . . B 89 ILE CA . 30063 2
161 . 2 2 16 16 ILE CB C 13 38.429 0.30 . 1 . . . B 89 ILE CB . 30063 2
162 . 2 2 16 16 ILE CG1 C 13 30.338 0.30 . 1 . . . B 89 ILE CG1 . 30063 2
163 . 2 2 16 16 ILE CG2 C 13 17.611 0.30 . 1 . . . B 89 ILE CG2 . 30063 2
164 . 2 2 16 16 ILE CD1 C 13 14.385 0.30 . 1 . . . B 89 ILE CD1 . 30063 2
165 . 2 2 16 16 ILE N N 15 117.788 0.30 . 1 . . . B 89 ILE N . 30063 2
166 . 2 2 17 17 GLN H H 1 7.917 0.02 . 1 . . . B 90 GLN H . 30063 2
167 . 2 2 17 17 GLN HA H 1 3.968 0.02 . 1 . . . B 90 GLN HA . 30063 2
168 . 2 2 17 17 GLN HB2 H 1 2.227 0.02 . 2 . . . B 90 GLN HB2 . 30063 2
169 . 2 2 17 17 GLN HG2 H 1 2.530 0.02 . 2 . . . B 90 GLN HG2 . 30063 2
170 . 2 2 17 17 GLN HE21 H 1 7.483 0.02 . 1 . . . B 90 GLN HE21 . 30063 2
171 . 2 2 17 17 GLN HE22 H 1 6.881 0.02 . 1 . . . B 90 GLN HE22 . 30063 2
172 . 2 2 17 17 GLN C C 13 178.566 0.30 . 1 . . . B 90 GLN C . 30063 2
173 . 2 2 17 17 GLN CA C 13 58.881 0.30 . 1 . . . B 90 GLN CA . 30063 2
174 . 2 2 17 17 GLN CB C 13 28.486 0.30 . 1 . . . B 90 GLN CB . 30063 2
175 . 2 2 17 17 GLN CG C 13 33.996 0.30 . 1 . . . B 90 GLN CG . 30063 2
176 . 2 2 17 17 GLN N N 15 117.373 0.30 . 1 . . . B 90 GLN N . 30063 2
177 . 2 2 17 17 GLN NE2 N 15 111.482 0.30 . 1 . . . B 90 GLN NE2 . 30063 2
178 . 2 2 18 18 LYS H H 1 7.799 0.02 . 1 . . . B 91 LYS H . 30063 2
179 . 2 2 18 18 LYS HA H 1 4.056 0.02 . 1 . . . B 91 LYS HA . 30063 2
180 . 2 2 18 18 LYS HB2 H 1 1.852 0.02 . 2 . . . B 91 LYS HB2 . 30063 2
181 . 2 2 18 18 LYS HG2 H 1 1.568 0.02 . 2 . . . B 91 LYS HG2 . 30063 2
182 . 2 2 18 18 LYS HD2 H 1 1.651 0.02 . 2 . . . B 91 LYS HD2 . 30063 2
183 . 2 2 18 18 LYS HE2 H 1 2.957 0.02 . 2 . . . B 91 LYS HE2 . 30063 2
184 . 2 2 18 18 LYS C C 13 178.557 0.30 . 1 . . . B 91 LYS C . 30063 2
185 . 2 2 18 18 LYS CA C 13 58.587 0.30 . 1 . . . B 91 LYS CA . 30063 2
186 . 2 2 18 18 LYS CB C 13 33.049 0.30 . 1 . . . B 91 LYS CB . 30063 2
187 . 2 2 18 18 LYS CG C 13 25.506 0.30 . 1 . . . B 91 LYS CG . 30063 2
188 . 2 2 18 18 LYS CD C 13 29.584 0.30 . 1 . . . B 91 LYS CD . 30063 2
189 . 2 2 18 18 LYS CE C 13 42.304 0.30 . 1 . . . B 91 LYS CE . 30063 2
190 . 2 2 18 18 LYS N N 15 118.066 0.30 . 1 . . . B 91 LYS N . 30063 2
191 . 2 2 19 19 ALA H H 1 8.250 0.02 . 1 . . . B 92 ALA H . 30063 2
192 . 2 2 19 19 ALA HA H 1 4.057 0.02 . 1 . . . B 92 ALA HA . 30063 2
193 . 2 2 19 19 ALA HB1 H 1 1.479 0.02 . 1 . . . B 92 ALA HB1 . 30063 2
194 . 2 2 19 19 ALA HB2 H 1 1.479 0.02 . 1 . . . B 92 ALA HB2 . 30063 2
195 . 2 2 19 19 ALA HB3 H 1 1.479 0.02 . 1 . . . B 92 ALA HB3 . 30063 2
196 . 2 2 19 19 ALA C C 13 178.732 0.30 . 1 . . . B 92 ALA C . 30063 2
197 . 2 2 19 19 ALA CA C 13 53.924 0.30 . 1 . . . B 92 ALA CA . 30063 2
198 . 2 2 19 19 ALA CB C 13 19.007 0.30 . 1 . . . B 92 ALA CB . 30063 2
199 . 2 2 19 19 ALA N N 15 121.056 0.30 . 1 . . . B 92 ALA N . 30063 2
200 . 2 2 20 20 LYS H H 1 7.696 0.02 . 1 . . . B 93 LYS H . 30063 2
201 . 2 2 20 20 LYS HA H 1 4.102 0.02 . 1 . . . B 93 LYS HA . 30063 2
202 . 2 2 20 20 LYS HB2 H 1 1.736 0.02 . 2 . . . B 93 LYS HB2 . 30063 2
203 . 2 2 20 20 LYS HG2 H 1 1.504 0.02 . 2 . . . B 93 LYS HG2 . 30063 2
204 . 2 2 20 20 LYS HD2 H 1 1.652 0.02 . 2 . . . B 93 LYS HD2 . 30063 2
205 . 2 2 20 20 LYS HE2 H 1 2.891 0.02 . 2 . . . B 93 LYS HE2 . 30063 2
206 . 2 2 20 20 LYS C C 13 176.657 0.30 . 1 . . . B 93 LYS C . 30063 2
207 . 2 2 20 20 LYS CA C 13 57.531 0.30 . 1 . . . B 93 LYS CA . 30063 2
208 . 2 2 20 20 LYS CB C 13 32.833 0.30 . 1 . . . B 93 LYS CB . 30063 2
209 . 2 2 20 20 LYS CG C 13 24.924 0.30 . 1 . . . B 93 LYS CG . 30063 2
210 . 2 2 20 20 LYS CD C 13 29.402 0.30 . 1 . . . B 93 LYS CD . 30063 2
211 . 2 2 20 20 LYS CE C 13 42.252 0.30 . 1 . . . B 93 LYS CE . 30063 2
212 . 2 2 20 20 LYS N N 15 115.786 0.30 . 1 . . . B 93 LYS N . 30063 2
213 . 2 2 21 21 HIS H H 1 7.751 0.02 . 1 . . . B 94 HIS H . 30063 2
214 . 2 2 21 21 HIS HA H 1 4.640 0.02 . 1 . . . B 94 HIS HA . 30063 2
215 . 2 2 21 21 HIS HB2 H 1 3.309 0.02 . 2 . . . B 94 HIS HB2 . 30063 2
216 . 2 2 21 21 HIS HD2 H 1 6.567 0.02 . 1 . . . B 94 HIS HD2 . 30063 2
217 . 2 2 21 21 HIS C C 13 174.443 0.30 . 1 . . . B 94 HIS C . 30063 2
218 . 2 2 21 21 HIS CA C 13 55.531 0.30 . 1 . . . B 94 HIS CA . 30063 2
219 . 2 2 21 21 HIS CB C 13 29.573 0.30 . 1 . . . B 94 HIS CB . 30063 2
220 . 2 2 21 21 HIS CD2 C 13 119.873 0.30 . 1 . . . B 94 HIS CD2 . 30063 2
221 . 2 2 21 21 HIS N N 15 117.139 0.30 . 1 . . . B 94 HIS N . 30063 2
222 . 2 2 22 22 MET H H 1 7.822 0.02 . 1 . . . B 95 MET H . 30063 2
223 . 2 2 22 22 MET HA H 1 4.671 0.02 . 1 . . . B 95 MET HA . 30063 2
224 . 2 2 22 22 MET HB2 H 1 2.030 0.02 . 2 . . . B 95 MET HB2 . 30063 2
225 . 2 2 22 22 MET HG2 H 1 2.607 0.02 . 2 . . . B 95 MET HG2 . 30063 2
226 . 2 2 22 22 MET HE1 H 1 2.036 0.02 . 1 . . . B 95 MET HE1 . 30063 2
227 . 2 2 22 22 MET HE2 H 1 2.036 0.02 . 1 . . . B 95 MET HE2 . 30063 2
228 . 2 2 22 22 MET HE3 H 1 2.036 0.02 . 1 . . . B 95 MET HE3 . 30063 2
229 . 2 2 22 22 MET CA C 13 59.214 0.30 . 1 . . . B 95 MET CA . 30063 2
230 . 2 2 22 22 MET CB C 13 32.264 0.30 . 1 . . . B 95 MET CB . 30063 2
231 . 2 2 22 22 MET CG C 13 32.275 0.30 . 1 . . . B 95 MET CG . 30063 2
232 . 2 2 22 22 MET CE C 13 17.466 0.30 . 1 . . . B 95 MET CE . 30063 2
233 . 2 2 22 22 MET N N 15 121.094 0.30 . 1 . . . B 95 MET N . 30063 2
234 . 2 2 23 23 PRO HA H 1 4.465 0.02 . 1 . . . B 96 PRO HA . 30063 2
235 . 2 2 23 23 PRO HB2 H 1 2.325 0.02 . 2 . . . B 96 PRO HB2 . 30063 2
236 . 2 2 23 23 PRO HG2 H 1 2.031 0.02 . 2 . . . B 96 PRO HG2 . 30063 2
237 . 2 2 23 23 PRO HD2 H 1 3.654 0.02 . 2 . . . B 96 PRO HD2 . 30063 2
238 . 2 2 23 23 PRO C C 13 175.904 0.30 . 1 . . . B 96 PRO C . 30063 2
239 . 2 2 23 23 PRO CA C 13 63.355 0.30 . 1 . . . B 96 PRO CA . 30063 2
240 . 2 2 23 23 PRO CB C 13 32.269 0.30 . 1 . . . B 96 PRO CB . 30063 2
241 . 2 2 23 23 PRO CG C 13 27.714 0.30 . 1 . . . B 96 PRO CG . 30063 2
242 . 2 2 23 23 PRO CD C 13 50.714 0.30 . 1 . . . B 96 PRO CD . 30063 2
243 . 2 2 24 24 ASP H H 1 8.085 0.02 . 1 . . . B 97 ASP H . 30063 2
244 . 2 2 24 24 ASP HA H 1 4.326 0.02 . 1 . . . B 97 ASP HA . 30063 2
245 . 2 2 24 24 ASP HB2 H 1 2.482 0.02 . 2 . . . B 97 ASP HB2 . 30063 2
246 . 2 2 24 24 ASP CA C 13 52.563 0.30 . 1 . . . B 97 ASP CA . 30063 2
247 . 2 2 24 24 ASP CB C 13 41.192 0.30 . 1 . . . B 97 ASP CB . 30063 2
248 . 2 2 24 24 ASP N N 15 120.137 0.30 . 1 . . . B 97 ASP N . 30063 2
249 . 2 2 25 25 PRO HA H 1 4.226 0.02 . 1 . . . B 98 PRO HA . 30063 2
250 . 2 2 25 25 PRO HB2 H 1 1.955 0.02 . 2 . . . B 98 PRO HB2 . 30063 2
251 . 2 2 25 25 PRO HG2 H 1 1.724 0.02 . 2 . . . B 98 PRO HG2 . 30063 2
252 . 2 2 25 25 PRO HD2 H 1 3.682 0.02 . 2 . . . B 98 PRO HD2 . 30063 2
253 . 2 2 25 25 PRO C C 13 176.156 0.30 . 1 . . . B 98 PRO C . 30063 2
254 . 2 2 25 25 PRO CA C 13 63.836 0.30 . 1 . . . B 98 PRO CA . 30063 2
255 . 2 2 25 25 PRO CB C 13 31.745 0.30 . 1 . . . B 98 PRO CB . 30063 2
256 . 2 2 25 25 PRO CG C 13 26.897 0.30 . 1 . . . B 98 PRO CG . 30063 2
257 . 2 2 25 25 PRO CD C 13 50.420 0.30 . 1 . . . B 98 PRO CD . 30063 2
258 . 2 2 26 26 TRP H H 1 7.823 0.02 . 1 . . . B 99 TRP H . 30063 2
259 . 2 2 26 26 TRP HA H 1 4.676 0.02 . 1 . . . B 99 TRP HA . 30063 2
260 . 2 2 26 26 TRP HB2 H 1 3.360 0.02 . 2 . . . B 99 TRP HB2 . 30063 2
261 . 2 2 26 26 TRP HD1 H 1 7.222 0.02 . 1 . . . B 99 TRP HD1 . 30063 2
262 . 2 2 26 26 TRP HE1 H 1 10.025 0.02 . 1 . . . B 99 TRP HE1 . 30063 2
263 . 2 2 26 26 TRP HZ2 H 1 7.188 0.02 . 1 . . . B 99 TRP HZ2 . 30063 2
264 . 2 2 26 26 TRP HZ3 H 1 6.952 0.02 . 1 . . . B 99 TRP HZ3 . 30063 2
265 . 2 2 26 26 TRP C C 13 174.966 0.30 . 1 . . . B 99 TRP C . 30063 2
266 . 2 2 26 26 TRP CA C 13 56.660 0.30 . 1 . . . B 99 TRP CA . 30063 2
267 . 2 2 26 26 TRP CB C 13 29.548 0.30 . 1 . . . B 99 TRP CB . 30063 2
268 . 2 2 26 26 TRP CD1 C 13 126.630 0.30 . 1 . . . B 99 TRP CD1 . 30063 2
269 . 2 2 26 26 TRP CZ2 C 13 113.230 0.30 . 1 . . . B 99 TRP CZ2 . 30063 2
270 . 2 2 26 26 TRP CZ3 C 13 123.479 0.30 . 1 . . . B 99 TRP CZ3 . 30063 2
271 . 2 2 26 26 TRP N N 15 118.586 0.30 . 1 . . . B 99 TRP N . 30063 2
272 . 2 2 26 26 TRP NE1 N 15 129.136 0.30 . 1 . . . B 99 TRP NE1 . 30063 2
273 . 2 2 27 27 ALA H H 1 7.291 0.02 . 1 . . . B 100 ALA H . 30063 2
274 . 2 2 27 27 ALA HA H 1 4.057 0.02 . 1 . . . B 100 ALA HA . 30063 2
275 . 2 2 27 27 ALA HB1 H 1 1.298 0.02 . 1 . . . B 100 ALA HB1 . 30063 2
276 . 2 2 27 27 ALA HB2 H 1 1.298 0.02 . 1 . . . B 100 ALA HB2 . 30063 2
277 . 2 2 27 27 ALA HB3 H 1 1.298 0.02 . 1 . . . B 100 ALA HB3 . 30063 2
278 . 2 2 27 27 ALA CA C 13 53.924 0.30 . 1 . . . B 100 ALA CA . 30063 2
279 . 2 2 27 27 ALA CB C 13 20.279 0.30 . 1 . . . B 100 ALA CB . 30063 2
280 . 2 2 27 27 ALA N N 15 129.264 0.30 . 1 . . . B 100 ALA N . 30063 2
stop_
save_